[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C19H24N5O2S+ MolecularWeight: 386.49116

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=NC=NC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=NC=NC=C3

InChI

InChI=1S/C19H23N5O2S/c1-3-27(25,26)19-21-11-18(24(19)12-16-7-5-4-6-8-16)14-23(2)13-17-9-10-20-15-22-17/h4-11,15H,3,12-14H2,1-2H3/p+1